Inorganic Solid Phases

K0.033Na0.116Ca1.922Mg2.964Fe3+0.116Fe2+1.826Mn0.045Ti0.013Al0.31Si7.69O22[OH]1.843F0.09Cl0.007 (K0.1Na0.2Ca1.9Mg3.0Fe2.1Al0.3Si7.7O22[OH]1.8F0.2) Crystal Structure

General Information

  • Phase Label(s): K0.1Na0.2Ca1.9Mg3.0Fe2.1Al0.3Si7.7O22[OH]1.8F0.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): actinolite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1174 reflections; I > 3σ(I), R = 0.044; wR = 0.043
  • Sample Detail(s): actinolite sample from U.S.A. Alaska, Prince of Wales Island, Green Monster mine, chemical analysis; 52.65 wt.% SiO2, 0.12 wt.% TiO2, 2.48 wt.% Al2O3, 1.06 wt.% Fe2O3, 14.95 wt.% FeO, 13.61 wt.% MgO, 0.36 wt.% MnO, 12.13 wt.% CaO, 0.41 wt.% Na2O, 0.18 wt.% K2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.1Na0.2Ca1.9Mg3.0Fe2.1Al0.3Si7.7O22[OH]1.8F0.2
  • Alphabetic Formula: Al0.3Ca1.9F0.2Fe2.1K0.1Mg3.0Na0.2O22[OH]1.8Si7.7
  • Published Formula: K0.033Na0.116Ca1.922Mg2.964Fe3+0.116Fe2+1.826Mn0.045Ti0.013Al0.31Si7.69O22[OH]1.843F0.09Cl0.007
  • Refined Formula: Al0.43Ca1.90Cl0.01F0.18Fe1.94H1.84K0.19Mg2.96Mn0.05Na0.09O23.80Si7.69Ti0.01
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.20 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213423

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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